4-bromo-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0037 |
| Compound Name: | 4-bromo-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.45 |
| Molecular Formula: | C21 H26 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccccc1CN(CCS(N1CCNCC1)(=O)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2289 |
| logD: | 1.8842 |
| logSw: | -2.7628 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.624 |
| InChI Key: | ZUUUUTJPCZPWHP-UHFFFAOYSA-N |